| SpectraBase Compound ID | Bhs7FF5NF23 |
|---|---|
| InChI | InChI=1S/C8H5ClF4O/c1-14-6-3-4(8(11,12)13)2-5(9)7(6)10/h2-3H,1H3 |
| InChIKey | HROFCMRAPMYLRR-UHFFFAOYSA-N |
| Mol Weight | 228.57 g/mol |
| Molecular Formula | C8H5ClF4O |
| Exact Mass | 227.996505 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HAmTehZXnXX |
|---|---|
| Name | 3-Chloro-2-fluoro-5-(trifluoromethyl)anisole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.996505132 u |
| Formula | C8H5ClF4O |
| InChI | InChI=1S/C8H5ClF4O/c1-14-6-3-4(8(11,12)13)2-5(9)7(6)10/h2-3H,1H3 |
| InChIKey | HROFCMRAPMYLRR-UHFFFAOYSA-N |
| Molecular Weight | 228.574 g/mol |
| SMILES | C(F)(F)(F)C1=CC(OC)=C(C(=C1)Cl)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896333 |